1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine

C17H27N3 — CID 787097

IUPAC1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine
SMILESc1ccc(CN2CCN(C3CCCCCC3)CC2)nc1
InChIInChI=1S/C17H27N3/c1-2-4-9-17(8-3-1)20-13-11-19(12-14-20)15-16-7-5-6-10-18-16/h5-7,10,17H,1-4,8-9,11-15H2
InChIKeyBBJJQVJEHBVIEN-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.92
Rot. Bonds3

About 1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine

1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine (PubChem CID 787097) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine
PubChem CID787097
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine
SMILESc1ccc(CN2CCN(C3CCCCCC3)CC2)nc1
InChIInChI=1S/C17H27N3/c1-2-4-9-17(8-3-1)20-13-11-19(12-14-20)15-16-7-5-6-10-18-16/h5-7,10,17H,1-4,8-9,11-15H2
InChIKeyBBJJQVJEHBVIEN-UHFFFAOYSA-N
XLogP2.92
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-2-ylmethyl)piperazine
CID 787081
2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 762879
1-[(4-chloro-2-pyridinyl)methyl]-4-cyclopentylpiperazine
CID 79256003
oxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine
CID 2912739
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97450333
5-cyclopropyl-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185554
4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole
CID 171700812
(3aR,7aR)-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 92764794
1-(1,3-benzodioxol-5-ylmethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]piperazine
CID 45228033
2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 171130226
5-propyl-4-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]piperidin-1-yl]pyrimidine
CID 72908565

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine (CID 787097) is 1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine is c1ccc(CN2CCN(C3CCCCCC3)CC2)nc1.
What is the InChIKey of 1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine?
The InChIKey is BBJJQVJEHBVIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-2-4-9-17(8-3-1)20-13-11-19(12-14-20)15-16-7-5-6-10-18-16/h5-7,10,17H,1-4,8-9,11-15H2.
What are the key properties of 1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine?
1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine has a molecular weight of 273.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 787097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).